CID 44989

63885-21-2

Structural Information

Molecular Formula
C13H15N5O
SMILES
C1=CC(=CN=C1)NC(=NCCO)NC2=CN=CC=C2
InChI
InChI=1S/C13H15N5O/c19-8-7-16-13(17-11-3-1-5-14-9-11)18-12-4-2-6-15-10-12/h1-6,9-10,19H,7-8H2,(H2,16,17,18)
InChIKey
LHLJUVWOOHKGBE-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethyl)-1,3-dipyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.12766 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13494 156.2
[M+Na]+ 280.11688 160.9
[M-H]- 256.12038 159.9
[M+NH4]+ 275.16148 168.9
[M+K]+ 296.09082 157.1
[M+H-H2O]+ 240.12492 146.1
[M+HCOO]- 302.12586 180.9
[M+CH3COO]- 316.14151 199.5
[M+Na-2H]- 278.10233 165.6
[M]+ 257.12711 153.8
[M]- 257.12821 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.